U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C17H25NO2
Molecular Weight 275.3859
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-(3,5,5-TRIMETHYLHEXYLIDENEAMINO)BENZOATE

SMILES

COC(=O)C1=C(C=CC=C1)\N=C\CC(C)CC(C)(C)C

InChI

InChIKey=GDZCMPXAZSTQGM-WOJGMQOQSA-N
InChI=1S/C17H25NO2/c1-13(12-17(2,3)4)10-11-18-15-9-7-6-8-14(15)16(19)20-5/h6-9,11,13H,10,12H2,1-5H3/b18-11+

HIDE SMILES / InChI

Molecular Formula C17H25NO2
Molecular Weight 275.3859
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
OVO3SUJ88V
Record Status Validated (UNII)
Record Version